3-(quinoline-4-carbonylamino)butanoic acid

C14H14N2O3 — CID 81455717

IUPAC3-(quinoline-4-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H14N2O3/c1-9(8-13(17)18)16-14(19)11-6-7-15-12-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeySWNLJAALHWLMIL-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.83
Rot. Bonds4

About 3-(quinoline-4-carbonylamino)butanoic acid

3-(quinoline-4-carbonylamino)butanoic acid (PubChem CID 81455717) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(quinoline-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-(quinoline-4-carbonylamino)butanoic acid
PubChem CID81455717
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-(quinoline-4-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H14N2O3/c1-9(8-13(17)18)16-14(19)11-6-7-15-12-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeySWNLJAALHWLMIL-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 134010257
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
N-hex-5-yn-3-ylquinoline-4-carboxamide
CID 113241212
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
N-[3,4-bis(4-chlorophenyl)butan-2-yl]quinoline-4-carboxamide
CID 10288329

Frequently Asked Questions

What is the IUPAC name of 3-(quinoline-4-carbonylamino)butanoic acid?
The IUPAC name of 3-(quinoline-4-carbonylamino)butanoic acid (CID 81455717) is 3-(quinoline-4-carbonylamino)butanoic acid.
What is the SMILES notation for 3-(quinoline-4-carbonylamino)butanoic acid?
The canonical SMILES for 3-(quinoline-4-carbonylamino)butanoic acid is CC(CC(=O)O)NC(=O)c1ccnc2ccccc12.
What is the InChIKey of 3-(quinoline-4-carbonylamino)butanoic acid?
The InChIKey is SWNLJAALHWLMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(8-13(17)18)16-14(19)11-6-7-15-12-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-(quinoline-4-carbonylamino)butanoic acid?
3-(quinoline-4-carbonylamino)butanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinoline-4-carbonylamino)butanoic acid is sourced from PubChem (CID 81455717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).